N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde

C16H40N4O2 — CID 145331952

IUPACN,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde
SMILESCC.CC1CCCCN1C=O.CCN(C=O)CC.CN.CN
InChIInChI=1S/C7H13NO.C5H11NO.C2H6.2CH5N/c1-7-4-2-3-5-8(7)6-9;1-3-6(4-2)5-7;3*1-2/h6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1-2H3;2*2H2,1H3
InChIKeyFRUUDBSNUWYYDI-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.68
Rot. Bonds4

About N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde

N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde (PubChem CID 145331952) has the molecular formula C16H40N4O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde.

Molecular Properties

Compound NameN,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde
PubChem CID145331952
Molecular FormulaC16H40N4O2
Molecular Weight320.52 g/mol
Exact Mass320.32
IUPAC NameN,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde
SMILESCC.CC1CCCCN1C=O.CCN(C=O)CC.CN.CN
InChIInChI=1S/C7H13NO.C5H11NO.C2H6.2CH5N/c1-7-4-2-3-5-8(7)6-9;1-3-6(4-2)5-7;3*1-2/h6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1-2H3;2*2H2,1H3
InChIKeyFRUUDBSNUWYYDI-UHFFFAOYSA-N
XLogP1.68
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde?
The IUPAC name of N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde (CID 145331952) is N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde.
What is the SMILES notation for N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde?
The canonical SMILES for N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde is CC.CC1CCCCN1C=O.CCN(C=O)CC.CN.CN.
What is the InChIKey of N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde?
The InChIKey is FRUUDBSNUWYYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H11NO.C2H6.2CH5N/c1-7-4-2-3-5-8(7)6-9;1-3-6(4-2)5-7;3*1-2/h6-7H,2-5H2,1H3;5H,3-4H2,1-2H3;1-2H3;2*2H2,1H3.
What are the key properties of N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde?
N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde has a molecular weight of 320.52 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylformamide;ethane;methanamine;2-methylpiperidine-1-carbaldehyde is sourced from PubChem (CID 145331952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).